2'-dehydrokanamycin A

Properties Image MNX_ID MNXM116267 reference chebi:72757 formula C18H38N4O11 global charge 4 mol weight 486.519 InChIKey FQALWUBUOWECTR-WSWRBCCJSA-R InChI InChI=1S/C18H34N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-12,14-18,23-27,29H,1-3,19-22H2/p+4/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1 SMILES [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])C(=O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C18H34N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-12,14-18,23-27,29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,14-,15+,16-,17-,18-/m1/s1 SMILES (mnx) [CH2:1]1[C@@H:4]([NH2:20])[C@H:15]([O:32][C@@H:17]2[C@H:11]([OH:26])[C@@H:8]([NH2:22])[C@H:9]([OH:24])[C@@H:7]([CH2:3][OH:23])[O:31]2)[C@@H:14]([OH:29])[C@H:16]([O:33][C@@H:18]2[C:13](=[O:28])[C@@H:12]([OH:27])[C@H:10]([OH:25])[C@@H:6]([CH2:2][NH2:19])[O:30]2)[C@H:5]1[NH2:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0